N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide

C19H27ClN2O — CID 59134775

IUPACN-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C1CC2(CCNCC2)c2cc(Cl)c(C)cc21
InChIInChI=1S/C19H27ClN2O/c1-12-9-14-15(10-17(12)20)19(5-7-21-8-6-19)11-16(14)18(3,4)22-13(2)23/h9-10,16,21H,5-8,11H2,1-4H3,(H,22,23)
InChIKeyBJKCTARKVOPEOB-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.67
Rot. Bonds2

About N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide

N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide (PubChem CID 59134775) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide
PubChem CID59134775
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC NameN-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)C1CC2(CCNCC2)c2cc(Cl)c(C)cc21
InChIInChI=1S/C19H27ClN2O/c1-12-9-14-15(10-17(12)20)19(5-7-21-8-6-19)11-16(14)18(3,4)22-13(2)23/h9-10,16,21H,5-8,11H2,1-4H3,(H,22,23)
InChIKeyBJKCTARKVOPEOB-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide (CID 59134775) is N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide is CC(=O)NC(C)(C)C1CC2(CCNCC2)c2cc(Cl)c(C)cc21.
What is the InChIKey of N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide?
The InChIKey is BJKCTARKVOPEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-12-9-14-15(10-17(12)20)19(5-7-21-8-6-19)11-16(14)18(3,4)22-13(2)23/h9-10,16,21H,5-8,11H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide?
N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide has a molecular weight of 334.89 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 59134775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).